Crystallography Open Database

Information card for entry 4320541

4320540 << 4320541 >> 4320542

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Coordinates	4320541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 Cd N2 O6 P2
Calculated formula	C14 H18 Cd N2 O6 P2
Title of publication	New Open Frameworks Based on Metal Pyridylphosphonates
Authors of publication	Ponnaiyan Ayyappan; Owen R. Evans; Bruce M. Foxman; Kraig A. Wheeler; Timothy H. Warren; Wenbin Lin
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	5954 - 5961
a	5.6057 ± 0.0004 Å
b	11.198 ± 0.0008 Å
c	14.1758 ± 0.0011 Å
α	90°
β	94.518 ± 0.001°
γ	90°
Cell volume	887.09 ± 0.11 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0578
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0947
Goodness-of-fit parameter for all reflections included in the refinement	0.621
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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